3,4-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide

C15H18N4O2 — CID 102703119

IUPAC3,4-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nnc(C3CCCN3)o2)cc1C
InChIInChI=1S/C15H18N4O2/c1-9-5-6-11(8-10(9)2)13(20)17-15-19-18-14(21-15)12-4-3-7-16-12/h5-6,8,12,16H,3-4,7H2,1-2H3,(H,17,19,20)
InChIKeyFVPJCCRQWFYOKX-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.36
Rot. Bonds3

About 3,4-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide

3,4-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 102703119) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3,4-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID102703119
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3,4-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nnc(C3CCCN3)o2)cc1C
InChIInChI=1S/C15H18N4O2/c1-9-5-6-11(8-10(9)2)13(20)17-15-19-18-14(21-15)12-4-3-7-16-12/h5-6,8,12,16H,3-4,7H2,1-2H3,(H,17,19,20)
InChIKeyFVPJCCRQWFYOKX-UHFFFAOYSA-N
XLogP2.36
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 102703133
4-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 102703098
5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiophene-3-carboxamide
CID 107963749
3,6-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridazine-4-carboxamide
CID 102703292
2-bromo-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 102703172
2-fluoro-5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 102703455
5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide
CID 102703521
5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 102703332
4-fluoro-2-hydroxy-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 107016102
1,3,5-trimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide
CID 102703303
1-ethyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea
CID 102703600
2-methylsulfanyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 102703433

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 3,4-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 102703119) is 3,4-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 3,4-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 3,4-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide is Cc1ccc(C(=O)Nc2nnc(C3CCCN3)o2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is FVPJCCRQWFYOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-9-5-6-11(8-10(9)2)13(20)17-15-19-18-14(21-15)12-4-3-7-16-12/h5-6,8,12,16H,3-4,7H2,1-2H3,(H,17,19,20).
What are the key properties of 3,4-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
3,4-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 286.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 102703119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).